Information card for entry 7714856

Structure parameters

• Formula: C10 H7 Cu N2 S
• Calculated formula: C10 H7 Cu N2 S
• Title of publication: A copper(I) thiocyanate-based photoresponsive semiconducting 2D coordination polymer.
• Authors of publication: Nishiyama, Tomoki; Kitoh-Nishioka, Hirotaka; Tanaka, Senku; Maekawa, Masahiko; Kuroda-Sowa, Takayoshi; Yoshida, Masaki; Kato, Masako; Okubo, Takashi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 4
• Pages of publication: 1445 - 1448
• a: 5.8691 ± 0.0003 Å
• b: 7.3775 ± 0.0004 Å
• c: 11.0578 ± 0.0007 Å
• α: 90°
• β: 102.454 ± 0.006°
• γ: 90°
• Cell volume: 467.53 ± 0.05 ų
• Cell temperature: 100.15 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0329
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.074
• Weighted residual factors for all reflections included in the refinement: 0.0751
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No